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Compound Detail

CHEMBL113770

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O=C1c2ccccc2C(=Cc2ccc(C(F)(F)F)cc2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113770
Phase Preclinical
Structure Type MOL
InChI Key BFMVWXQTGYNUFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
5.84
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H13F3O
MW 350.34
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
30523084 10.1126/science.aat9446 Plasmodium berghei 4
30523084 10.1126/science.aat9446 HepG2-CD81 2
12852768 10.1021/jm0307685 K562 1
12852768 10.1021/jm0307685 Sus scrofa 1

Data from ChEMBL 36 via Core Engine